CID 16186522
5'-tgggaggtgggtctg-3'
Structural Information
- Molecular Formula
- C149H185N61O91P14
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C149H185N61O91P14/c1-52-22-197(146(227)192-123(52)213)89-8-57(71(26-211)273-89)288-303(233,234)260-33-78-63(14-94(280-78)203-44-165-104-115(203)175-137(153)184-128(104)218)296-311(249,250)268-39-84-69(20-100(286-84)209-50-171-110-121(209)181-143(159)190-134(110)224)301-315(257,258)271-38-83-67(18-98(285-83)207-48-169-108-119(207)179-141(157)188-132(108)222)297-310(247,248)265-32-77-62(13-93(279-77)201-42-163-102-112(151)161-41-162-113(102)201)293-309(245,246)267-35-80-68(19-99(282-80)208-49-170-109-120(208)180-142(158)189-133(109)223)299-313(253,254)269-36-81-65(16-96(283-81)205-46-167-106-117(205)177-139(155)186-130(106)220)295-308(243,244)264-31-76-61(12-92(278-76)200-25-55(4)126(216)195-149(200)230)292-306(239,240)266-34-79-66(17-97(281-79)206-47-168-107-118(206)178-140(156)187-131(107)221)298-312(251,252)272-40-85-70(21-101(287-85)210-51-172-111-122(210)182-144(160)191-135(111)225)300-314(255,256)270-37-82-64(15-95(284-82)204-45-166-105-116(204)176-138(154)185-129(105)219)294-307(241,242)263-30-75-60(11-91(277-75)199-24-54(3)125(215)194-148(199)229)291-305(237,238)261-28-73-58(9-88(275-73)196-6-5-86(150)173-145(196)226)289-304(235,236)262-29-74-59(10-90(276-74)198-23-53(2)124(214)193-147(198)228)290-302(231,232)259-27-72-56(212)7-87(274-72)202-43-164-103-114(202)174-136(152)183-127(103)217/h5-6,22-25,41-51,56-85,87-101,211-212H,7-21,26-40H2,1-4H3,(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H2,150,173,226)(H2,151,161,162)(H,192,213,227)(H,193,214,228)(H,194,215,229)(H,195,216,230)(H3,152,174,183,217)(H3,153,175,184,218)(H3,154,176,185,219)(H3,155,177,186,220)(H3,156,178,187,221)(H3,157,179,188,222)(H3,158,180,189,223)(H3,159,181,190,224)(H3,160,182,191,225)
- InChIKey
- GRIKNWJTZVJBPC-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4718.8123 | 311.5 |
[M+Na]+ | 4740.7942 | 311.5 |
[M-H]- | 4716.7977 | 311.5 |
[M+NH4]+ | 4735.8388 | 311.5 |
[M+K]+ | 4756.7682 | 311.5 |
[M+H-H2O]+ | 4700.8023 | 311.5 |
[M+HCOO]- | 4762.8032 | 311.5 |
[M+CH3COO]- | 4776.8189 | 311.5 |
[M+Na-2H]- | 4738.7797 | 311.6 |
[M]+ | 4717.8045 | 311.5 |
[M]- | 4717.8055 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.